SCHEMBL4329080

SCHEMBL4329080

COc1cccc(CN2CN(c3ccccc3)C3(CCN(C(c4ccccc4)c4c(Br)c(=O)[nH]n4C)CC3)C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 18/20 0.51
OPRL1 P41146 18/20 0.51
OPRM1 P35372 16/20 0.51
OPRD1 P41143 15/20 0.51
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4338358 0.92 OPRK1 (0.54) OPRK1OPRL1OPRM1OPRD1
SCHEMBL4318202 0.91 OPRK1 (0.59) OPRK1OPRL1OPRM1OPRD1
SCHEMBL4330047 0.90 OPRK1 (0.52) OPRK1OPRL1OPRM1OPRD1
SCHEMBL4330965 0.87 OPRK1 (0.55) OPRK1OPRL1OPRM1OPRD1
SCHEMBL4327424 0.87 OPRK1 (0.55) OPRK1OPRL1OPRM1OPRD1
SCHEMBL4331164 0.86 OPRK1 (0.54) OPRK1OPRL1OPRM1OPRD1
SCHEMBL4326527 0.86 OPRK1 (0.54) OPRK1OPRL1OPRM1OPRD1
SCHEMBL4322682 0.85 OPRK1 (0.52) OPRK1OPRL1OPRM1OPRD1
SCHEMBL4329477 0.82 OPRK1 (0.72) OPRK1OPRL1OPRM1OPRD1
SCHEMBL4329074 0.75 MEN1 (0.49) OPRK1OPRL1OPRM1OPRD1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A OPRK1 169/4885OPRL1 96/4885OPRM1 264/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.